REMARK Name = LIG002002 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.603 0.330 0.075 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.199 -0.479 -0.818 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.317 -1.161 -1.563 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -0.939 -1.126 -1.455 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.346 -1.952 -2.386 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.353 -2.484 -3.047 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.404 -0.281 -0.469 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.567 -2.032 -2.591 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.276 0.443 0.280 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -3.859 -2.408 -3.144 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.589 -1.216 -3.764 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -4.738 -3.137 -2.129 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.374 1.112 0.909 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.791 1.374 1.697 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.761 0.742 1.201 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -4.944 2.320 3.247 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.457 1.951 1.859 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.847 -0.522 2.088 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -4.737 -1.725 1.328 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -4.111 -1.550 0.598 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.978 -0.189 -0.255 0.00 0.00 -0.322 N ATOM 22 H LIG 1 1.467 -0.575 -1.062 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.427 1.136 0.142 0.00 0.00 +0.156 C BRANCH 23 24 ATOM 24 C LIG 1 2.935 1.104 0.260 0.00 0.00 +0.036 A ATOM 25 N LIG 1 3.493 0.039 0.933 0.00 0.00 -0.324 N ATOM 26 H LIG 1 2.870 -0.677 1.294 0.00 0.00 +0.169 HD ATOM 27 C LIG 1 4.840 -0.154 1.134 0.00 0.00 +0.258 A ATOM 28 O LIG 1 5.237 -1.133 1.759 0.00 0.00 -0.267 OA ATOM 29 C LIG 1 5.759 0.888 0.556 0.00 0.00 +0.065 A ATOM 30 C LIG 1 5.180 1.921 -0.094 0.00 0.00 +0.017 A ATOM 31 C LIG 1 3.749 2.036 -0.256 0.00 0.00 +0.023 A BRANCH 29 32 ATOM 32 C LIG 1 7.233 0.822 0.690 0.00 0.00 +0.076 A ATOM 33 N LIG 1 7.891 2.014 0.633 0.00 0.00 -0.255 NA ATOM 34 C LIG 1 9.237 2.005 0.748 0.00 0.00 +0.111 A ATOM 35 C LIG 1 9.988 0.856 0.908 0.00 0.00 +0.020 A ATOM 36 C LIG 1 9.317 -0.357 0.950 0.00 0.00 +0.004 A ATOM 37 C LIG 1 7.927 -0.377 0.838 0.00 0.00 +0.028 A ENDBRANCH 29 32 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10